[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium

C11H15N2O2+ — CID 162469017

IUPAC[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium
SMILES[NH3+][C@@H](CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/p+1/t7?,9-/m0/s1
InChIKeySPHNJDOWMOXSMT-NETXQHHPSA-O
MW207.25 g/mol
LogP0.28
Rot. Bonds3

About [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium

[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium (PubChem CID 162469017) has the molecular formula C11H15N2O2+ and a molecular weight of 207.25 g/mol. Its IUPAC name is [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium
PubChem CID162469017
Molecular FormulaC11H15N2O2+
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium
SMILES[NH3+][C@@H](CC1CNc2ccccc21)C(=O)O
InChIInChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/p+1/t7?,9-/m0/s1
InChIKeySPHNJDOWMOXSMT-NETXQHHPSA-O
XLogP0.28
TPSA76.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(deuterioamino)-4-(2,3-dihydro-1H-indol-3-yl)butan-2-one
CID 158622438
(2R)-3-[(3S)-2,3-dihydro-1H-indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 124630636
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
3-(2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117199439
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80751144
2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
CID 59768558
(Z)-5-(2,3-dihydro-1H-indol-3-yl)-3-phenylpent-2-enoic acid
CID 70895655
(2S)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 80572442
(2R)-2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103927350
4-(2,3-dihydro-1H-indol-3-yl)butanamide
CID 67613869
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium?
The IUPAC name of [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium (CID 162469017) is [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium is [NH3+][C@@H](CC1CNc2ccccc21)C(=O)O.
What is the InChIKey of [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium?
The InChIKey is SPHNJDOWMOXSMT-NETXQHHPSA-O. The full InChI is InChI=1S/C11H14N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,7,9,13H,5-6,12H2,(H,14,15)/p+1/t7?,9-/m0/s1.
What are the key properties of [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium?
[(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium has a molecular weight of 207.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-carboxy-2-(2,3-dihydro-1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 162469017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).